UCSF

ZINC55412840

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 24 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.88 7.6 -17.24 2 6 0 76 340.408 5
Mid Mid (pH 6-8) 1.88 8.05 -38.43 3 6 1 77 341.416 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )